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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50235250'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-MK499 from human ERG IKr channel expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in rapidly activating delayed rectifier cardiac potassium current by whole-cel...


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair